CHARMM Development Project
Posted By: cm14sjm generating peptide from sequence - 11/18/21 12:47 PM
Hello, how do I generate a new peptide without a PDB, in a linear conformation from its amino acid sequence? It has been a few years since I did this and I no longer have the input file, but I remember something like GENERATE PEPT 5 ALA ALA ALA etc. Also, once I have that command how do I simulate that peptide, do I just go ahead into the DYNA section or do I need to write a PDB first? I have tried googling it but found nothing.

Thanks a lot!
Posted By: rmv Re: generating peptide from sequence - 11/18/21 02:56 PM
Have you tried the Script Archive forum at this site?

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